============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 10 1.000 -13.769 83.795 -16.839 -99.200 -91.000 HIS 11 0.900 -11.445 73.370 -14.490 -99.200 -91.000 HIS 13 0.900 -5.608 78.639 -11.528 -99.200 -91.000 TYR 34 0.840 -20.934 91.212 -18.262 -99.200 -91.000 TYR 43 0.840 -20.492 68.287 -5.894 -99.200 -91.000 TYR 57 0.840 -22.354 71.247 -25.573 -99.200 -91.000 PHE 67 1.000 -34.398 88.459 -25.371 -99.200 -91.000 TRP 73 1.040 -32.030 72.868 -22.987 -99.200 -91.000 TRP6 73 1.020 -32.408 70.551 -23.283 -99.200 -91.000 PHE 77 1.000 -32.062 65.996 -26.450 -99.200 -91.000 PHE 81 1.000 -23.989 60.572 -33.236 -99.200 -91.000 TRP 82 1.040 -20.674 62.709 -29.146 -99.200 -91.000 TRP6 82 1.020 -20.783 60.370 -29.470 -99.200 -91.000 PHE 91 1.000 -28.988 66.176 -20.886 -99.200 -91.000 PHE 97 1.000 -22.003 77.851 -23.523 -99.200 -91.000 PHE 101 1.000 -27.394 80.962 -24.404 -99.200 -91.000 TRP 102 1.040 -33.488 81.277 -19.418 -99.200 -91.000 TRP6 102 1.020 -35.730 82.023 -19.639 -99.200 -91.000 TYR 114 0.840 -38.571 87.808 -9.377 -99.200 -91.000 TYR 128 0.840 -31.440 71.589 2.980 -99.200 -91.000 PHE 134 1.000 -18.294 67.464 4.378 -99.200 -91.000 TRP 136 1.040 -24.289 76.927 9.973 -99.200 -91.000 TRP6 136 1.020 -24.872 76.401 7.781 -99.200 -91.000 TYR 149 0.840 -21.861 64.163 12.988 -99.200 -91.000 TYR 161 0.840 -29.655 78.583 8.258 -99.200 -91.000 HIS 171 0.900 -17.370 62.549 7.219 -99.200 -91.000 PHE 181 1.000 -18.170 48.723 0.323 -99.200 -91.000 HIS 216 0.900 -22.844 63.623 0.511 -99.200 -91.000 HIS 218 0.900 -20.765 58.544 0.551 -99.200 -91.000 PHE 227 1.000 -28.831 55.529 9.217 -99.200 -91.000 PHE 234 1.000 -33.908 58.821 16.532 -99.200 -91.000 PHE 237 1.000 -39.010 68.696 5.773 -99.200 -91.000 PHE 238 1.000 -35.601 66.574 1.717 -99.200 -91.000 TYR 239 0.840 -32.649 57.387 3.997 -99.200 -91.000 TYR 269 0.840 -26.827 64.363 -14.518 -99.200 -91.000 TRP 272 1.040 -35.629 62.622 -23.033 -99.200 -91.000 TRP6 272 1.020 -35.517 64.936 -23.521 -99.200 -91.000 PHE 274 1.000 -34.751 65.012 -12.058 -99.200 -91.000 PHE 277 1.000 -34.940 58.086 -10.603 -99.200 -91.000 PHE 296 1.000 -32.227 80.581 -14.495 -99.200 -91.000 PHE 299 1.000 -35.361 74.121 -10.992 -99.200 -91.000 HIS 307 0.900 -47.881 71.393 -9.051 -99.200 -91.000 PHE 309 1.000 -45.959 61.919 -12.810 -99.200 -91.000 HIS 316 0.900 -26.386 69.707 -5.761 -99.200 -91.000 HIS 329 0.900 -33.355 85.607 -10.248 -99.200 -91.000 PHE 337 1.000 -38.557 76.556 -2.225 -99.200 -91.000 HIS 340 0.900 -31.651 77.970 -1.817 -99.200 -91.000 HIS 342 0.900 -26.487 79.617 2.439 -99.200 -91.000 HIS 343 0.900 -23.258 73.378 0.393 -99.200 -91.000 TYR 351 0.840 -16.639 77.769 -3.595 -99.200 -91.000 HIS 357 0.900 -23.943 91.944 -6.785 -99.200 -91.000 TYR 359 0.840 -27.530 88.042 -4.287 -99.200 -91.000 TYR 366 0.840 -30.437 82.417 0.178 -99.200 -91.000 TYR 383 0.840 -11.607 88.156 -16.869 -99.200 -91.000 TYR 388 0.840